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Tags: computational materials

All Categories (21-40 of 40)

  1. Computational Nanoscience, Lecture 8: Monte Carlo Simulation Part II

    14 Feb 2008 | Teaching Materials | Contributor(s): Elif Ertekin, Jeffrey C Grossman

    In this lecture, we continue our discussion of Monte Carlo simulation. Examples from Hard Sphere Monte Carlo simulations based on the Metropolis algorithm and from Grand Canonical Monte Carlo...

    https://nanohub.org/resources/4056

  2. Computational Nanoscience, Lecture 9: Hard-Sphere Monte Carlo In-Class Simulation

    19 Feb 2008 | Teaching Materials | Contributor(s): Elif Ertekin, Jeffrey C Grossman

    In this lecture we carry out simulations in-class, with guidance from the instructors. We use the HSMC tool (within the nanoHUB simulation toolkit for this course). The hard sphere system is one...

    https://nanohub.org/resources/4067

  3. Computational Nanoscience, Pop-Quiz

    15 May 2008 | Teaching Materials | Contributor(s): Elif Ertekin, Jeffrey C Grossman

    This quiz summarizes the most important concepts which have covered in class so far related to Molecular Dynamics, Classical Monte Carlo Methods, and Quantum Mechanical Methods.University of...

    https://nanohub.org/resources/4568

  4. Computational Nanoscience, Pop-Quiz Solutions

    15 May 2008 | Teaching Materials | Contributor(s): Elif Ertekin, Jeffrey C Grossman

    The solutions to the pop-quiz are given in this handout.University of California, Berkeley

    https://nanohub.org/resources/4570

  5. Computer in Science Engineering: featuring nanoHUB.org

    22 Apr 2010 | Papers

    The current issue of Computing in Science and Engineering focuses on cyber-enabled nanotechnology, and nanoHUB.org is featured extensively throughout.

    https://nanohub.org/resources/8881

  6. D Ray Johnson

    Retired from ORNL Materials Science and Technology Division after 37 years.

    https://nanohub.org/members/54782

  7. Dynamics on the Nanoscale: Time-domain ab initio studies of quantum dots, carbon nanotubes and molecule-semiconductor interfaces

    31 Jan 2008 | Online Presentations | Contributor(s): Oleg Prezhdo

    Device miniaturization requires an understanding of the dynamical response of materials on the nanometer scale. A great deal of experimental and theoretical work has been devoted to characterizing...

    https://nanohub.org/resources/3951

  8. ECE 595E Numerical Simulations for Energy Applications

    17 Jan 2013 | Courses | Contributor(s): Peter Bermel

    https://nanohub.org/resources/16570

  9. Excellence in Computer Simulation

    19 Dec 2007 | Workshops | Contributor(s): Mark Lundstrom, Jeffrey B. Neaton, Jeffrey C Grossman

    Computational science is frequently labeled as a third branch of science - equal in standing with theory and experiment, and computational engineering is now an essential component of technology...

    https://nanohub.org/resources/3617

  10. Goranka Bilalbegovic

    https://nanohub.org/members/45672

  11. MIT Atomic Scale Modeling Toolkit

    15 Jan 2008 | Tools | Contributor(s): daniel richards, Elif Ertekin, Jeffrey C Grossman, David Strubbe, Justin Riley

    Tools for Atomic Scale Modeling

    https://nanohub.org/resources/ucb_compnano

  12. Nahil Sobh

    Nahil Sobh is the site-lead of NCN at the University of Illinois. He received a Ph.D. in Applied Mathematics in 1990, and a Ph.D. in Solid Mechanics/Structures/Civil Engineering in 1987 both from...

    https://nanohub.org/members/22330

  13. NCN, nanoHUB, HUBzero: cyberinfrastructure for nanotechnology

    10 Feb 2011 | Online Presentations | Contributor(s): Mark Lundstrom

    Presentation made at the Workshop to Develop the Global Nanotechnology Network, Grenoble, France.

    https://nanohub.org/resources/8996

  14. Northwestern University Initiative for Teaching Nanoscience

    12 Aug 2008 | Tools | Contributor(s): Baudilio Tejerina

    This package allows users to study and analyze of molecular properties using various electronic structure methods.

    https://nanohub.org/resources/nuitns

  15. Purdue School on High Performance and Parallel Computing

    24 Nov 2008 | Workshops | Contributor(s): Alejandro Strachan, Faisal Saied

    The goal of this workshop is to provide training in the area of high performance scientific computing for graduate students and researchers interested in scientific computing. The School will...

    https://nanohub.org/resources/5666

  16. Session 4: Discussion

    20 Dec 2007 | Online Presentations

    Discussion led by Mark Allendorf, Sandia National Laboratory.

    https://nanohub.org/resources/3737

  17. Thermoelectric Power Factor Calculator for Nanocrystalline Composites

    18 Oct 2008 | Tools | Contributor(s): Terence Musho, Greg Walker

    Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in a 2D Nanocrystalline Composite Structure using Non-Equilibrium Green's Functions

    https://nanohub.org/resources/nccpf

  18. UV/Vis Spectra simulator

    04 Mar 2008 | Tools | Contributor(s): Baudilio Tejerina

    This tool computes molecular electronic spectra.

    https://nanohub.org/resources/uvspec

  19. Virtual Kinetics of Materials Laboratory : Spinodal Decomposition

    29 Jul 2008 | Tools | Contributor(s): Michael Waters, Alex Bartol, R. Edwin García

    Applies the Classic Cahn-Hilliard Equation to Simulate the Chemical Segregation of Two Phases (2D)

    https://nanohub.org/resources/vkmlsd

  20. Virtual Kinetics of Materials Laboratory: Spinodal Decomposition 3D

    04 Aug 2008 | Tools | Contributor(s): Michael Waters, R. Edwin García, Alex Bartol

    Simulates the Time-Dependent Segregation of Two Chemical Components

    https://nanohub.org/resources/vkmlsd3d

nanoHUB.org, a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.